F084-0195 Screening compound: 4-ethyl-1-{3-[4-(4-fluorophenyl)piperazino]-3-oxopropyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

F084-0195 Screening compound: 4-ethyl-1-{3-[4-(4-fluorophenyl)piperazino]-3-oxopropyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
F084-0195 Screening compound: 4-ethyl-1-{3-[4-(4-fluorophenyl)piperazino]-3-oxopropyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F084-0195
4-ethyl-1-{3-[4-(4-fluorophenyl)piperazino]-3-oxopropyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F084-0195

Molecular Formula

C22H23FN6O2S (C22 H23 FN6 O2 S)

Compound Name

4-ethyl-1-{3-[4-(4-fluorophenyl)piperazino]-3-oxopropyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

8-ethyl-12-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-7-one

SMILES

CCN(c1nnc(CCC(N(CC2)CCN2c(cc2)ccc2F)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C22H23FN6O2S/c1-2-28-21(31)20-17(9-14-32-20)29-18(24-25-22(28)29)7-8-19(30)27-12-10-26(11-13-27)16-5-3-15(23)4-6-16/h3-6,9,14H,2,7-8,10-13H2,1H3

InChI Key

BIEDSFCFFQNMLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27100613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.189

Distribution Coefficient, logD

2.189

Water Solubility, LogSw

-2.43

Polar Surface Area

60.374

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

F084-0195 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Others

References: we are preparing a list of scientific research reports with F084-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F084-0195?
Check Price and Availability of F084-0195, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F084-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F084-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F084-0195
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F084-0195 available by request